N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide

C104H95ClN16O12S4 — CID 161314552

About N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide

N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide (PubChem CID 161314552) has the molecular formula C104H95ClN16O12S4 and a molecular weight of 1924.72 g/mol. Its IUPAC name is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide
• PubChem CID: 161314552
• Molecular Formula: C104H95ClN16O12S4
• Molecular Weight: 1924.72 g/mol
• Exact Mass: 1922.59
• IUPAC Name: N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide
• SMILES: Cc1cc(N2CCCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2nccc3ncccc23)c1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ccc2cnccc2n1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ncc2ccccc2n1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1nccc2ncccc12
• InChI: InChI=1S/C26H23ClN4O3S.3C26H24N4O3S/c1-17-15-19(31-13-2-3-14-35(31,33)34)7-8-20(17)26(32)30-18-6-9-23(27)22(16-18)25-21-5-4-11-28-24(21)10-12-29-25;1-18-4-8-21(16-23(18)25-11-7-20-17-27-13-12-24(20)29-25)28-26(31)19-5-9-22(10-6-19)30-14-2-3-15-34(30,32)33;1-18-6-9-20(17-23(18)25-22-5-4-13-27-24(22)12-14-28-25)29-26(31)19-7-10-21(11-8-19)30-15-2-3-16-34(30,32)33;1-18-8-11-21(16-23(18)25-27-17-20-6-2-3-7-24(20)29-25)28-26(31)19-9-12-22(13-10-19)30-14-4-5-15-34(30,32)33/h4-12,15-16H,2-3,13-14H2,1H3,(H,30,32);4-13,16-17H,2-3,14-15H2,1H3,(H,28,31);4-14,17H,2-3,15-16H2,1H3,(H,29,31);2-3,6-13,16-17H,4-5,14-15H2,1H3,(H,28,31)
• InChIKey: VJICVGHKZTUBDP-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 369.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1924.72
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide?

The IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide (CID 161314552) is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide.

What is the SMILES notation for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide?

The canonical SMILES for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide is Cc1cc(N2CCCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2nccc3ncccc23)c1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ccc2cnccc2n1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ncc2ccccc2n1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1nccc2ncccc12.

What is the InChIKey of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide?

The InChIKey is VJICVGHKZTUBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3S.3C26H24N4O3S/c1-17-15-19(31-13-2-3-14-35(31,33)34)7-8-20(17)26(32)30-18-6-9-23(27)22(16-18)25-21-5-4-11-28-24(21)10-12-29-25;1-18-4-8-21(16-23(18)25-11-7-20-17-27-13-12-24(20)29-25)28-26(31)19-5-9-22(10-6-19)30-14-2-3-15-34(30,32)33;1-18-6-9-20(17-23(18)25-22-5-4-13-27-24(22)12-14-28-25)29-26(31)19-7-10-21(11-8-19)30-15-2-3-16-34(30,32)33;1-18-8-11-21(16-23(18)25-27-17-20-6-2-3-7-24(20)29-25)28-26(31)19-9-12-22(13-10-19)30-14-4-5-15-34(30,32)33/h4-12,15-16H,2-3,13-14H2,1H3,(H,30,32);4-13,16-17H,2-3,14-15H2,1H3,(H,28,31);4-14,17H,2-3,15-16H2,1H3,(H,29,31);2-3,6-13,16-17H,4-5,14-15H2,1H3,(H,28,31).

What are the key properties of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide?

N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide has a molecular weight of 1924.72 g/mol, XLogP of 19.80, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide is sourced from PubChem (CID 161314552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).